4,6-bis[2-(4-nitrophenyl)ethynyl]pyran-2-one

Systemtic Name: 4,6-bis[2-(4-nitrophenyl)ethynyl]pyran-2-one Openeye Name: 4,6-bis[2-(4-nitrophenyl)ethynyl]pyran-2-one CAS Name: 4,6-bis[2-(4-nitrophenyl)ethynyl]-2-pyranone IUPAC Name: 4,6-bis[2-(4-nitrophenyl)ethynyl]pyran-2-one Traditional Name: 4,6-bis[2-(4-nitrophenyl)ethynyl]pyran-2-one Formula: C21H10N2O6 MolecularWeight: 386.3139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CC(=O)OC(=C2)C#CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CC(=O)OC(=C2)C#CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H10N2O6/c24-21-14-17(2-1-15-3-8-18(9-4-15)22(25)26)13-20(29-21)12-7-16-5-10-19(11-6-16)23(27)28/h3-6,8-11,13-14H